U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C15H10O10S
Molecular Weight 382.3006
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUERCETIN 3-SULFATE

SMILES

c1cc(c(cc1-c2c(c(=O)c3c(cc(cc3o2)O)O)OS(=O)(=O)O)O)O

InChI

InChIKey=DNAYVNOVGHZZLH-UHFFFAOYSA-N
InChI=1S/C15H10O10S/c16-7-4-10(19)12-11(5-7)24-14(6-1-2-8(17)9(18)3-6)15(13(12)20)25-26(21,22)23/h1-5,16-19H,(H,21,22,23)

HIDE SMILES / InChI

Molecular Formula C15H10O10S
Molecular Weight 382.3006
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 21:45:14 UTC 2021
Edited
by admin
on Fri Jun 25 21:45:14 UTC 2021
Record UNII
XSS6HSA3AJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUERCETIN 3-SULFATE
Systematic Name English
QUERCETIN 3-O-SULFATE
Common Name English
QUERCETINSULFONIC ACID
Common Name English
4H-1-BENZOPYRAN-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3-(SULFOOXY)-
Systematic Name English
2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3-(SULFOOXY)-4H-1-BENZOPYRAN-4-ONE
Systematic Name English
Code System Code Type Description
CAS
60889-05-6
Created by admin on Fri Jun 25 21:45:14 UTC 2021 , Edited by admin on Fri Jun 25 21:45:14 UTC 2021
PRIMARY
PUBCHEM
5280362
Created by admin on Fri Jun 25 21:45:14 UTC 2021 , Edited by admin on Fri Jun 25 21:45:14 UTC 2021
PRIMARY
FDA UNII
XSS6HSA3AJ
Created by admin on Fri Jun 25 21:45:14 UTC 2021 , Edited by admin on Fri Jun 25 21:45:14 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE